Proceedings of nanoGe Fall Meeting 2021 (NFM21)
DOI: https://doi.org/10.29363/nanoge.nfm.2021.065
Publication date: 23rd September 2021
Recently, owing to their excellent optoelectronic properties combined with an enhanced material stability, two-dimensional (2D) hybrid halide perovskites have emerged as an attractive alternative to 3D perovskites for photovoltaics [1][2] More, their ability to emit white-light at room temperature with a good color rendering projected this family of materials into the spotlight of potential future low-cost white LED components[3]. However, the underlying physical mechanisms behind these emissive properties are not fully understood. Herein we propose to study basic optoelectronic properties that might be linked to the broad-band emission observed at different temperatures in a series of (C6H11NH3)2PbX4 2D Ruddlesden Popper perovskites (X= Br or I) [4] [5]. We rely on a coupling between advanced structural measurements and an atomistic approach based on the density functional theory (DFT). Indeed, as the temperature is decreased, phase transitions between undistorted and distorted structures were observed for the two compounds of the series by means of temperature dependent X-ray diffraction. While this crystallographic phase transition goes along with a measured polarization-electric field hysteresis for the bromide compound, more complex apparition of satellite incommensurate reflections was instead obtained for the Iodine one. We believe that these satellite reflections might also be connected to a low temperature ferroelectric ordering. In order to set an interplay between the structural distortions and the observed optoelectronic properties, theoretical studies intend to provide insights of the electronic band structures and the polarization characteristics for these compounds.
This work has received funding from the Centre National de Recherche Scientifique (CNRS) under the grant agreement SE PCR-ISRAEL.
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